Vitas-M small molecule compound
methyl 3-(7-chloro-4'-hydroxy-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-3'-yl)-3-[3-(hydroxymethyl)-4-methoxyphenyl]propanoate
Catalog ID
STL549939
SMILES COC(=O)CC(C1=C(O)CC(C2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)c1ccc(c(c1)CO)OC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C28H29ClO10 MW 560.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29ClO10/c1-13-8-17(31)22(16(10-21(32)38-5)14-6-7-18(35-2)15(9-14)12-30)26(33)28(13)27(34)23-19(36-3)11-20(37-4)24(29)25(23)39-28/h6-7,9,11,13,16,30-31H,8,10,12H2,1-5H3InChIKey
MXNYFTHSTXEDEE-UHFFFAOYSA-NSynonyms
InChI=1SC28H29ClO10c113817(31)22(16(1021(32)385)146718(352)15(914)1230)26(33)28(13)27(34)2319(363)1120(374)24(29)25(23)3928h6791113163031H81012H215H3
methyl3(7chloro4hydroxy46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)3yl)3(3(hydroxymethyl)4methoxyphenyl)propanoate
MFCD31757304
ZINC000888089551
ZINC000888089554
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